ChemSpider 2D Image | (4R)-4-{[(2S)-2-{[(2R)-2-{[(3R,4R,5R,6S)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name) | C19H32N4O11

(4R)-4-{[(2S)-2-{[(2R)-2-{[(3R,4R,5R,6S)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name)

  • Molecular FormulaC19H32N4O11
  • Average mass492.478 Da
  • Monoisotopic mass492.206757 Da
  • ChemSpider ID114393810

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(4R)-4-{[(2S)-2-{[(2R)-2-{[(3R,4R,5R,6S)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoic acid (non-preferred name) [ACD/IUPAC Name]
(4R)-4-{[(2S)-2-{[(2R)-2-{[(3R,4R,5R,6S)-3-Acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (4R)-4-{[(2S)-2-{[(2R)-2-{[(3R,4R,5R,6S)-3-acétamido-2,5-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-4-yl]oxy}propanoyl]amino}propanoyl]amino}-5-amino-5-oxopentanoïque (non-preferred name) [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 1023.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.4±6.0 kJ/mol
Flash Point: 572.9±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 112.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: -2.97
ACD/LogD (pH 5.5): -3.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.76
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 73.9±5.0 dyne/cm
Molar Volume: 339.2±5.0 cm3

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